337905 <common-name>2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one</common-name> <description>2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is a chemical compound with the formula C24H18BrClN2O2S2. With an average molecular weight of 545.90 g/mol, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one is a heavy molecule.</description> <cas>618432-13-6</cas> <pubchem-id>3858202</pubchem-id> <chemical-formula>C24H18BrClN2O2S2</chemical-formula> <weight>545.9</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T20:53:08Z</created-at> <updated-at type="dateTime">2026-08-30T20:53:08Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=C(C=C4)Cl)SCC(=O)C5=CC=C(C=C5)Br</moldb-smiles> <moldb-formula>C24H18BrClN2O2S2</moldb-formula> <moldb-inchi>InChI=1S/C24H18BrClN2O2S2/c25-15-7-5-14(6-8-15)19(29)13-31-24-27-22-21(18-3-1-2-4-20(18)32-22)23(30)28(24)17-11-9-16(26)10-12-17/h5-12H,1-4,13H2</moldb-inchi> <moldb-inchikey>ZSUQKEBPGTYWNV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">543.96816</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM333798</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0288334</sync-id> <structure-inchikey>ZSUQKEBPGTYWNV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000200000800000000800000000002000000040000088004000000000000000000220000004000040002080000000001000000000000000000081200000000000400000000000000000000020000010200000000000800010000000000000010080000000000400000002000400020100000000000000040000000800000000020000000000000000000004000000000000000000000000000000000000000000000000000000084140000000020000000000000000000000000000000000000000000000200100004000000010044000100000200200000000000000004040000001000040000000000400000000010000008040000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAgAAAAJAAAAIABBgBgAAAAAgIGAGAAAAAC AgYAYAAAAAICBkAoAAAAAwQGQCgAAAADBAYAYAAAAAICBkAoAAAAAwQGQCgA AAADBBBAKAAAAAMCB0AoAAAAAwMGQCgAAAADBAdAKAAAAAMDBkAoAAAAAwQI ACgAAAADAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgA AAADAwEGQGgAAAADAwERACAAAAABEAAgAAAAAgYAYAAAAAICBgAoAAAAAwQI ACgAAAADAgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgA AAADAwEGQGgAAAADAwEjACAAAAABCwABAAECAAIDAAMEaAwEBQAEBmgMBgdo DAcIaAwHCWgMCQpoDAoLaAwLDGgMDA0oAgsOIA4PaAwPEGgMEBFoDBESaAwS E2gMERQAChUAFRYAFhcAFxgoAhcZIBkaaAwaG2gMGxxoDBwdaAwdHmgMHB8A BQAACANoDAwGaAwTDmgMHhloDEIFAAAABgAFBAMCAQUIBwYEAwYJCgsMBgcG DxAREhMOBhobHB0eGRcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:38:51Z</structure-indexed-at> </compound>